3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline

C15H16INO — CID 65489343

IUPAC3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C15H16INO/c1-17(2)14-4-3-5-15(10-14)18-11-12-6-8-13(16)9-7-12/h3-10H,11H2,1-2H3
InChIKeyKWPGKQKETUCGLQ-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.94
Rot. Bonds4

About 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline

3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline (PubChem CID 65489343) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline
PubChem CID65489343
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C15H16INO/c1-17(2)14-4-3-5-15(10-14)18-11-12-6-8-13(16)9-7-12/h3-10H,11H2,1-2H3
InChIKeyKWPGKQKETUCGLQ-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline (CID 65489343) is 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline is CN(C)c1cccc(OCc2ccc(I)cc2)c1.
What is the InChIKey of 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline?
The InChIKey is KWPGKQKETUCGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-17(2)14-4-3-5-15(10-14)18-11-12-6-8-13(16)9-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline?
3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline has a molecular weight of 353.20 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline is sourced from PubChem (CID 65489343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).